Permethylsorbitol
Basic information
- CAS
20746-36-5- Standard SMILES
COC[C@H](OC)[C@@H](OC)[C@H](OC)[C@@H](COC)OC- InChIKey
UJQZVTQJKNAPOQ-WRWGMCAJSA-N- Molecular formula
- C12H26O6
- Average molar mass
- 266.33 g/mol
- Monoisotopic mass
- 266.17293854
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Permethylsorbitol
- IUPAC
- (2R,3R,4R,5S)-1,2,3,4,5,6-hexamethoxyhexane
- English name
- Permethylsorbitol
- Molecular formula
- C12H26O6
- Molecular weight
- 266.33
Names & synonyms
Permethylsorbitol20746-36-5DTXSID30174824RefChem:171802DTXCID1097315D-Glucitol, 1,2,3,4,5,6-hexa-O-methyl-hexa-O-methyl sorbitolSCHEMBL58376291,2,3,4,5,6-Hexa-O-methyl-D-glucitol
Database identifiers
- CAS
20746-36-5- PubChem CID
- 3082166
- DTXSID
DTXSID30174824- Nikkaji
- J488.794H
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 100 °C · 100 °C(Press: 1.5 Torr)
- Density
- 1.0334 g/cm³ · 1.0334 g/cm³
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Related reactions
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Compound notes
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